2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine

C9H17N3S — CID 102768170

IUPAC2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCN(CC(C)(C)C)c1ncc(N)s1
InChIInChI=1S/C9H17N3S/c1-9(2,3)6-12(4)8-11-5-7(10)13-8/h5H,6,10H2,1-4H3
InChIKeyRTOYYKIQHYEQNV-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.21
Rot. Bonds2

About 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine

2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine (PubChem CID 102768170) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
PubChem CID102768170
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCN(CC(C)(C)C)c1ncc(N)s1
InChIInChI=1S/C9H17N3S/c1-9(2,3)6-12(4)8-11-5-7(10)13-8/h5H,6,10H2,1-4H3
InChIKeyRTOYYKIQHYEQNV-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine (CID 102768170) is 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine is CN(CC(C)(C)C)c1ncc(N)s1.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The InChIKey is RTOYYKIQHYEQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-9(2,3)6-12(4)8-11-5-7(10)13-8/h5H,6,10H2,1-4H3.
What are the key properties of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).